Multicenter distorted-wave calculation for triple differential cross sections of tetrahydropyran and 1,4-dioxane molecules

被引：3

作者：

Wang, Zhenpeng ^{[1
,2
]}

Gong, Maomao ^{[1
,2
]}

Li, Xingyu ^{[1
,2
]}

Zhang, Song Bin ^{[3
]}

Chen, Xiangjun ^{[1
,2
]}

机构：

[1] Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Anhui, Peoples R China

[2] Univ Sci & Technol China, Dept Modern Phys, Hefei 230026, Anhui, Peoples R China

[3] Shaanxi Normal Univ, Sch Phys & Informat Technol, Xian 710119, Peoples R China

来源：

JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA | 2021年 / 248卷

基金：

中国国家自然科学基金;

关键词：

Electron-impact ionization (e2e); Cross section of complex molecules; Multicenter distorted-wave; PARALLEL COMPUTATIONAL LIBRARY; MP2; ENERGY; STORAGE; SCELIB;

D O I：

10.1016/j.elspec.2021.147059

中图分类号：

O433 [光谱学];

学科分类号：

0703 ; 070302 ;

摘要：

We report a theoretical investigation of the (e, 2e) triple-differential cross sections of tetrahydropyran and 1,4-dioxane molecules using multicenter distorted-wave method. Previous experiments [J. Chem. Phys. 140, 214312 (2014).] with 250 eV impinging electron are available for comparison. The multicenter distorted-wave calculations well describe the measurements, especially in the binary region. It is shown that the multicenter short range potential plays an important role in the dynamics of single ionization process.

引用

页数：5

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